Information card for entry 4518424

Structure parameters

• Formula: C26 H16 Br4 Cu N2 O2
• Calculated formula: C26 H16 Br4 Cu N2 O2
• Title of publication: Active Bromoaniline‒Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach
• Authors of publication: Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 9.8183 ± 0.0006 Å
• b: 10.6368 ± 0.0005 Å
• c: 12.0379 ± 0.0006 Å
• α: 90°
• β: 100.785 ± 0.002°
• γ: 90°
• Cell volume: 1234.98 ± 0.11 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No